SCHEMBL3084634

SCHEMBL3084634

CCCCCCCCCC(=C(OC)C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
PTGS2 P35354 5/20 0.51
NAAA Q02083 1/20 0.49
EPHX2 P34913 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL32074 1.00 CES2 (0.54) CES2CES1PTGS2NAAAEPHX2
SCHEMBL7096425 1.00 CES2 (0.54) CES2CES1PTGS2NAAAEPHX2
SCHEMBL8092296 0.98 CES2 (0.53) CES2CES1PTGS2NAAA
Stearic Acid SCHEMBL8430839 0.96 CES2 (0.50) CES2CES1PTGS2
SCHEMBL5178120 0.94 PTGS2 (0.57) CES2CES1PTGS2NAAA
SCHEMBL29717021 0.91 CES2 (0.46) CES2CES1PTGS2NAAAEPHX2
SCHEMBL7527911 0.91 CES2 (0.46) CES2CES1PTGS2NAAAEPHX2
SCHEMBL31697573 0.89 CES2 (0.44) CES2CES1PTGS2NAAA
SCHEMBL38663795 0.89 TDP1 (0.50) CES2CES1PTGS2NAAA
Cinnamic Acid SCHEMBL29850611 0.88 TUBB4A (0.50) CES2CES1PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799752-B2 Compositions comprising encapsulated material QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-09-21 US disclosed
US-20060039934-A1 Compositions comprising encapsulated material QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-02-23 US disclosed
EP-1534216-A1 COMPOSITIONS COMPRISING ENCAPSULATED MATERIAL Quest International Services B.V. (NL) 2005-06-01 EP disclosed
EP-1393706-A1 Fragranced compositions comprising encapsulated material QUEST INTERNATIONAL B.V. (NL) 2004-03-03 EP disclosed
WO-2004016234-A1 COMPOSITIONS COMPRISING ENCAPSULATED MATERIAL QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-02-26 WO disclosed